9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(3-pyridin-4-ylpropoxy)purine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(3-pyridin-4-ylpropoxy)purine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-2-[3-(4-pyridyl)propoxy]purine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(3-pyridin-4-ylpropoxy)purine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(3-pyridin-4-ylpropoxy)purine Traditional Name: 9-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-2-[3-(4-pyridyl)propoxy]purine Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)OCCCC3=CC=NC=C3)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

Isomeric SMILES

CC1=C2C(=NC(=N1)OCCCC3=CC=NC=C3)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

InChI

InChI=1S/C28H33N5O3/c1-19-26-27(32-28(30-19)35-16-6-7-21-12-14-29-15-13-21)33(20(2)31-26)18-22-10-11-24(34-3)25(17-22)36-23-8-4-5-9-23/h10-15,17,23H,4-9,16,18H2,1-3H3